Home > Compound List > Compound details
420104-03-6 molecular structure
click picture or here to close

2-{[2-(3-methoxyphenoxy)ethyl]amino}ethan-1-ol

ChemBase ID: 311187
Molecular Formular: C11H17NO3
Molecular Mass: 211.25758
Monoisotopic Mass: 211.12084341
SMILES and InChIs

SMILES:
c1c(OC)cccc1OCCNCCO
Canonical SMILES:
OCCNCCOc1cccc(c1)OC
InChI:
InChI=1S/C11H17NO3/c1-14-10-3-2-4-11(9-10)15-8-6-12-5-7-13/h2-4,9,12-13H,5-8H2,1H3
InChIKey:
YAYIYTVZKWGWJR-UHFFFAOYSA-N

Cite this record

CBID:311187 http://www.chembase.cn/molecule-311187.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[2-(3-methoxyphenoxy)ethyl]amino}ethan-1-ol
IUPAC Traditional name
2-{[2-(3-methoxyphenoxy)ethyl]amino}ethanol
Synonyms
2-{[2-(3-methoxyphenoxy)ethyl]amino}ethanol
CAS Number
420104-03-6
MDL Number
MFCD01471350

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5740911 external link Add to cart
Data Source Data ID Price
ChemBridge
5740911 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4420974  LogD (pH = 7.4) -0.98236436 
Log P 0.60339785  Molar Refractivity 58.0011 cm3
Polarizability 23.035278 Å3 Polar Surface Area 50.72 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle